(2- (2-Hydroxyethyl) phenyl) boronic acid

CAT: 0127-OR1001982-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001982-01Size:250 mg

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CAS Number

1232424-23-5

Purity

97%

Smiles

OB(C1=CC=CC=C1CCO)O

Chemical Information

(2-(2-Hydroxyethyl)phenyl)boronic acid

CAS Number	1232424-23-5
PubChem CID	53424130
IUPAC Name	[2-(2-hydroxyethyl)phenyl]boronic acid
Molecular Formula	C8H11BO3
Molecular Weight	165.98
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	129

SMILES

B(C1=CC=CC=C1CCO)(O)O

InChI

InChI=1S/C8H11BO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10-12H,5-6H2

InChIKey

WQDMNHJOQUIQPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1232424-23-5

CID: 53424130

Formula: C8H11BO3

MW: 165.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.98
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.0801244
Monoisotopic Mass	166.0801244
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR360234-01	2- (Aminomethyl) phenyl boronic acid
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OR1093663	(2- (phenoxymethyl) phenyl) boronic acid
OR1052077-01	(2- (Isopropoxycarbonyl) phenyl) boronic acid
OR1059835-01	(2- (Cyclopentyloxy) phenyl) boronic acid
PC412422-01	[2-Fluoro-4- (hydroxymethyl) phenyl]boronic acid

Catalog	Name
TVA33620	(4- (1-Hydroxyethyl) phenyl) boronic acid
abx187981-01	(3-Fluoro-4-((2-Hydroxyethyl)Carbamoyl)Phenyl)Boronic Acid
VDD97756-01	(3- (2,2,2-Trifluoro-1-hydroxyethyl) phenyl) boronic acid pinacol ester
414310-01	(2- (Morpholinosulfonyl) phenyl) boronic Acid
abx188153	2-(Aminomethyl)Phenyl Boronic Acid
FD84620	[2- (Difluoromethyl) phenyl]boronic acid
JH839312	2- (Biphenyl) phenyl boronic acid
sc-506308	(2- (Phenoxycarbonyl) phenyl) boronic acid
407588-01	1- (2-Hydroxyethyl) pyrazole-4-boronic Acid
NCC76141-01	[2- (2-Phenylethoxy) phenyl]boronic acid